(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine

C15H15N3 — CID 25324450

IUPAC(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C15H15N3/c1-11(16)12-6-8-13(9-7-12)18-10-17-14-4-2-3-5-15(14)18/h2-11H,16H2,1H3/t11-/m0/s1
InChIKeyJWKQQHRYFAEGCX-NSHDSACASA-N
MW237.31 g/mol
LogP3.05
Rot. Bonds2

About (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine

(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine (PubChem CID 25324450) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
PubChem CID25324450
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine
SMILESC[C@H](N)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C15H15N3/c1-11(16)12-6-8-13(9-7-12)18-10-17-14-4-2-3-5-15(14)18/h2-11H,16H2,1H3/t11-/m0/s1
InChIKeyJWKQQHRYFAEGCX-NSHDSACASA-N
XLogP3.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine (CID 25324450) is (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine is C[C@H](N)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine?
The InChIKey is JWKQQHRYFAEGCX-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3/c1-11(16)12-6-8-13(9-7-12)18-10-17-14-4-2-3-5-15(14)18/h2-11H,16H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine?
(1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine has a molecular weight of 237.31 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(benzimidazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 25324450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).